Computational modeling of effects of alloying elements on elastic coefficients

Z. K. Liu, H. Zhang, S. Ganeshan, Y. Wang, S. N. Mathaudhu

Research output: Contribution to journalArticlepeer-review

37 Scopus citations

Abstract

Models for composition and temperature dependencies of single-crystal elastic stiffness coefficients are developed and applied to the Al 12Mg17 and hexagonal closed-packed solution phases in the Mg-Al system based on data from first-principles calculations. In combination with models for multi-phases, the bulk, shear, and Young's moduli of Mg-Al alloys are predicted and compared with available experimental data in the literature. It is noted that both phase transition and grain boundary sliding may play important roles in the elastic coefficients as a function of temperature.

Original languageEnglish (US)
Pages (from-to)686-691
Number of pages6
JournalScripta Materialia
Volume63
Issue number7
DOIs
StatePublished - Oct 2010

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

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